2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine

C15H18N4 — CID 19754196

IUPAC2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESC/C=C/CNc1nc(C)cc(Nc2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-3-4-10-16-15-17-12(2)11-14(19-15)18-13-8-6-5-7-9-13/h3-9,11H,10H2,1-2H3,(H2,16,17,18,19)/b4-3+
InChIKeyWCMQNIFRUICAGZ-ONEGZZNKSA-N
MW254.34 g/mol
LogP3.52
Rot. Bonds5

About 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 19754196) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID19754196
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESC/C=C/CNc1nc(C)cc(Nc2ccccc2)n1
InChIInChI=1S/C15H18N4/c1-3-4-10-16-15-17-12(2)11-14(19-15)18-13-8-6-5-7-9-13/h3-9,11H,10H2,1-2H3,(H2,16,17,18,19)/b4-3+
InChIKeyWCMQNIFRUICAGZ-ONEGZZNKSA-N
XLogP3.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908006
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
2-N-[2-(2-methoxyphenyl)ethyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112921043
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 19754196) is 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine is C/C=C/CNc1nc(C)cc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is WCMQNIFRUICAGZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-4-10-16-15-17-12(2)11-14(19-15)18-13-8-6-5-7-9-13/h3-9,11H,10H2,1-2H3,(H2,16,17,18,19)/b4-3+.
What are the key properties of 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 19754196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).